Geometry & MOs

Info

ID:	16782
PubChem CID:	476787
Reduced:	N3O5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	323.148121
ΔH_f, kcal/mol:	-217.83
Dipole, Da:	4.46
IP(EA), eV:	-9.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-[2-oxo-4-(propanoylamino)pyrimidin-1-yl]oxolan-2-yl]methyl propanoate

Drug info:

PubChemData

Smile

CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)COC(=O)CC

DOS

IR

Vibrations